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4-(p-Tolyl)thieno[3,2-f]isoquinoline
SpectraBase Compound ID FECmjPxvNiG
InChI InChI=1S/C18H13NS/c1-12-2-4-13(5-3-12)17-10-14-11-19-8-6-15(14)16-7-9-20-18(16)17/h2-11H,1H3
InChIKey BTFYHQBCBFAJPA-UHFFFAOYSA-N
Mol Weight 275.37 g/mol
Molecular Formula C18H13NS
Exact Mass 275.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GupWIYXnfJl
Name 4-(p-Tolyl)thieno[3,2-f]isoquinoline
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 275.076870597 u
Formula C18H13NS
InChI InChI=1S/C18H13NS/c1-12-2-4-13(5-3-12)17-10-14-11-19-8-6-15(14)16-7-9-20-18(16)17/h2-11H,1H3
InChIKey BTFYHQBCBFAJPA-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 275.369 g/mol
Quality 94
Reported Formula C18H13NS
SMILES C1(=CC=C(C=C1)C)C=1C2=C(C3=C(C1)C=NC=C3)C=CS2
SPLASH splash10-004i-0090000000-9ee0741ddccd95d6b0c4
Source of Spectrum K1-2022-SM22-3b (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.20 (Heptane/EtOAc, 2:1)
Wiley ID 1899034